44 citations · 44 across the 4 of their papers we have counts for
6 papers
Deep Band Crossings Enhanced Nonlinear Optical Effects
Nianlong Zou, He Li, Meng Ye +8
Nonlinear optical (NLO) effects in materials with band crossings have attracted significant research interests due to the divergent band geometric quantities around these crossings…
Deep learning density functional theory Hamiltonian in real space
Zilong Yuan, Zechen Tang, Honggeng Tao +11
Deep learning electronic structures from ab initio calculations holds great potential to revolutionize computational materials studies. While existing methods proved success in dee…
Ab initio study of Z(N) = 6 magicity
H. Li, H. J. Ong, D. Fang +7
The existence of magic numbers of protons and neutrons in nuclei is essential for understanding nuclear structure and fundamental nuclear forces. Over decades, researchers have con…
Improving density matrix electronic structure method by deep learning
Zechen Tang, Nianlong Zou, He Li +10
The combination of deep learning and ab initio materials calculations is emerging as a trending frontier of materials science research, with deep-learning density functional theory…
Universal materials model of deep-learning density functional theory Hamiltonian
Yuxiang Wang, Yang Li, Zechen Tang +14
Realizing large materials models has emerged as a critical endeavor for materials research in the new era of artificial intelligence, but how to achieve this fantastic and challeng…
Direct ab initio calculation of the He nuclear electric dipole polarizability
Peng Yin, Andrey M. Shirokov, Pieter Maris +5
The calculation of nuclear electromagnetic sum rules by directly diagonalizing the nuclear Hamiltonian in a large basis is numerically challenging and has not been performed for $A…